SCHEMBL8615418

SCHEMBL8615418

Fc1c(OCc2ccccc2)ccc(-c2cnc(Br)cn2)c1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 0.50
ALOX5AP P20292 9/20 0.50
KDM1A O60341 2/20 0.38
MAPK14 Q16539 1/20 0.37
IDO1 P14902 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
AOC3 Q16853 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8615031 0.84 FEN1 (0.44) FEN1ALOX5APKDM1A
SCHEMBL8616563 0.84 FEN1 (0.56) FEN1ALOX5APKDM1AIDO1MRGPRX4
SCHEMBL8613871 0.83 CYP11B1 (0.41) FEN1KDM1AMAPK14IDO1MRGPRX4
SCHEMBL8615439 0.79 FEN1 (0.50) FEN1ALOX5APKDM1AMRGPRX4
SCHEMBL8618508 0.78 CYP19A1 (0.40) FEN1ALOX5APKDM1AMAPK14IDO1
SCHEMBL7882570 0.78 MRGPRX4 (0.40) FEN1ALOX5APKDM1AMAPK14IDO1
SCHEMBL8613081 0.78 ALOX5AP (0.47) FEN1ALOX5APKDM1AMRGPRX4
SCHEMBL8619233 0.78 MAOB (0.44) FEN1ALOX5AP
SCHEMBL8613438 0.77 KDM1A (0.43) KDM1AMRGPRX4
SCHEMBL8619299 0.77 KDM1A (0.43) KDM1AMRGPRX4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed